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On the symmetric S- and D-state components of the triton wave function

✍ Scribed by Malcolm McMillan; Melvyn Best


Publisher
Elsevier Science
Year
1967
Tongue
English
Weight
646 KB
Volume
105
Category
Article
ISSN
0375-9474

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Structure of the T1-state wave function
✍ Ohgi Takahashi; Masayuki Watanabe; Osamu Kikuchi πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 154 KB πŸ‘ 2 views

Configuration interaction singles CIS calculations of the planar T state 1 of hexatriene, octatetraene, decapentaene, and dodecahexaene showed that the Ε½ . Ε½ . HOMO y i Βͺ LUMO q i type single excitations contribute significantly. This is attributed to the similarity of the HOMO, LUMO, and HOMO y i,